Calystegine C2
AlkaPlorer ID: AK019227
Synonym: 'Calystegine C1', '(-)-Calystegine C2', '(+)-Calystegine C1'
IUPAC Name: (1R,2R,3R,4S,5R,6R)-8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol
Structure
SMILES: O[C@@H]1[C@@H](O)[C@@H](O)[C@]2(O)C[C@@H](O)[C@H]1N2
InChI: InChI=1S/C7H13NO5/c9-2-1-7(13)6(12)5(11)4(10)3(2)8-7/h2-6,8-13H,1H2/t2-,3-,4+,5-,6-,7-/m1/s1
InChIKey: GGOJRYWHKVYFQK-AGZHHQKVSA-N
Reference
Calystegine alkaloids from Duboisia leichhardtii
PubChem CID: 101700059
LOTUS: LTS0142057
SuperNatural Ⅲ: SN0105188-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duboisia leichhardtii | Duboisia | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 191.183
TPSA？: 113.18
MolLogP？: -3.5059
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|